MassBank Record: JP002686



 HEXADECYL-2,3-DI-O-ACETYLGLYCEROL; CI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002686
RECORD_TITLE: HEXADECYL-2,3-DI-O-ACETYLGLYCEROL; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXADECYL-2,3-DI-O-ACETYLGLYCEROL CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H44O5 CH$EXACT_MASS: 400.31887 CH$SMILES: CCCCCCCCCCCCCCCCOCC(COC(C)=O)OC(C)=O CH$IUPAC: InChI=1S/C23H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-23(28-22(3)25)20-27-21(2)24/h23H,4-20H2,1-3H3
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 250 eV AC$MASS_SPECTROMETRY: REAGENT_GAS AMMONIA
PK$SPLASH: splash10-00or-9700400000-f99a52bb28a702819faf PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 77 99.99 999 84 8.2 82 86 8.5 85 87 7 70 88 2 20 89 7.9 79 91 4.9 49 94 0.98 10 96 8.6 86 97 9.6 96 98 12.8 128 100 0.86 9 110 9.1 91 111 7.8 78 112 16.9 169 114 1 10 117 7 70 124 7.7 77 128 7.2 72 133 1.02 10 134 7.4 74 136 12.9 129 137 10.7 107 141 0.98 10 159 12.7 127 178 8.4 84 179 8.4 84 180 2.35 24 194 18.1 181 418 63.7 637 419 16 160 //